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	hartrees
Energy at 0K	-205.314449
Energy at 298.15K	-205.324285
HF Energy	-205.314449
Nuclear repulsion energy	134.596426

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3305	3287	18.87
2	A	3199	3182	24.80
3	A	2994	2977	29.88
4	A	1658	1648	38.09
5	A	1335	1328	0.14
6	A	888	883	11.76
7	A	748	744	0.11
8	A	525	522	30.11
9	A	308	306	69.37
10	E	3304	3286	8.70
10	E	3304	3286	8.70
11	E	3203	3186	16.12
11	E	3203	3186	16.12
12	E	1663	1654	7.90
12	E	1663	1654	7.90
13	E	1376	1369	15.21
13	E	1376	1369	15.20
14	E	1183	1176	23.22
14	E	1183	1176	23.22
15	E	998	992	42.58
15	E	998	992	42.58
16	E	743	739	288.16
16	E	743	738	288.16
17	E	403	401	47.47
17	E	403	401	47.47
18	E	273	272	30.02
18	E	273	272	30.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.377
H2	0.000	0.000	1.478
N3	0.000	1.429	-0.058
N4	1.238	-0.715	-0.058
N5	-1.238	-0.715	-0.058
H6	0.882	1.881	0.255
H7	1.188	-1.705	0.255
H8	-2.070	-0.176	0.255
H9	-0.030	1.476	-1.098
H10	1.293	-0.712	-1.098
H11	-1.263	-0.764	-1.098

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.1012	1.4936	1.4936	1.4936	2.0814	2.0813	2.0813	2.0867	2.0867	2.0867
H2	1.1012		2.0978	2.0978	2.0978	2.4110	2.4110	2.4110	2.9689	2.9689	2.9689
N3	1.4936	2.0978		2.4751	2.4751	1.0396	3.3659	2.6384	1.0416	2.7089	2.7362
N4	1.4936	2.0978	2.4751		2.4751	2.6384	1.0396	3.3659	2.7362	1.0416	2.7089
N5	1.4936	2.0978	2.4751	2.4751		3.3659	2.6384	1.0396	2.7089	2.7362	1.0416
H6	2.0814	2.4110	1.0396	2.6384	3.3659		3.5988	3.5988	1.6813	2.9535	3.6647
H7	2.0813	2.4110	3.3659	1.0396	2.6384	3.5988		3.5988	3.6647	1.6813	2.9535
H8	2.0813	2.4110	2.6384	3.3659	1.0396	3.5988	3.5988		2.9535	3.6647	1.6813
H9	2.0867	2.9689	1.0416	2.7362	2.7089	1.6813	3.6647	2.9535		2.5570	2.5570
H10	2.0867	2.9689	2.7089	1.0416	2.7362	2.9535	1.6813	3.6647	2.5570		2.5570
H11	2.0867	2.9689	2.7362	2.7089	1.0416	3.6647	2.9535	1.6813	2.5570	2.5570

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.180	C1	N3	H9	109.494
C1	N4	H7	109.180	C1	N4	H10	109.494
C1	N5	H8	109.180	C1	N5	H11	109.494
H2	C1	N3	106.917	H2	C1	N4	106.917
H2	C1	N5	106.917	N3	C1	N4	111.900
N3	C1	N5	111.900	N4	C1	N5	111.901
H6	N3	H9	107.776	H7	N4	H10	107.776
H8	N5	H11	107.776

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: BLYP/3-21G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	0.159
2	H	0.211
3	N	-0.598
4	N	-0.598
5	N	-0.598
6	H	0.250
7	H	0.250
8	H	0.250
9	H	0.224
10	H	0.224
11	H	0.224

<r²>	85.107
(<r²>)^1/2	9.225

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: BLYP/3-21G

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)